Molecular and multiscale modeling: Review on the theories and applications in chemical engineering

CTyF - Ciencia, Tecnologia y Futuro

Volumn 3, Issue 5, 2009, Pages 205-224

  Medina, Giovanni Morales ^a   Rey, Ramiro Martínez ^a  

^a UNIVERSIDAD INDUSTRIAL DE SANTANDER   (Colombia)

Author keywords

ab initio; DFT; Molecular mechanics; Molecular modeling; Multiscale modeling; QM MM; Quantum chemistry

Indexed keywords

DESIGN FOR TESTABILITY; MACHINERY; MOLECULAR MECHANICS; MOLECULAR MODELING; PHYSICAL CHEMISTRY; QUANTUM CHEMISTRY;

AB INITIO; INDUSTRIAL PROBLEM; MICROSCOPIC POINTS; MULTI SCALE ANALYSIS; MULTI-LEVEL ANALYSIS; MULTI-SCALE MODELING; PETROCHEMICAL PROCESS; QM/MM;

CHEMICAL ANALYSIS;

CHEMICAL INDUSTRY; MOLECULAR ANALYSIS; NUMERICAL MODEL; PETROCHEMICAL INDUSTRY; PETROLEUM ENGINEERING;

EID: 77956928557     PISSN: 01225383     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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